(Q104955304)

English

3-[(3S,5S,8R,9R,10R,13R,14S,17R)-5,14-dihydroxy-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,6,7,8,9,10,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[5,14-dihydroxy-13-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,4,6,7,8,9,10,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

522.282882924 dalton

1 reference

1 reference

C₂₈H₄₂O₉

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(O)C(O)C6O)CCC5C4CCC23C

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Antiaris toxicaria

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stated in

Cardiac glycosides from Antiaris toxicaria with potent cardiotonic activity

Identifiers

InChI

InChI=1S/C28H42O9/c1-14-22(30)23(31)24(32)25(36-14)37-16-3-4-19-17-5-8-26(2)18(15-11-21(29)35-13-15)7-10-28(26,34)20(17)6-9-27(19,33)12-16/h11,14,16-20,22-25,30-34H,3-10,12-13H2,1-2H3/t14-,16-,17+,18+,19+,20+,22-,23+,24+,25-,26+,27-,28-/m0/s1

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InChIKey

CDXPKMOTHWNLCR-ORVAITBMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CDXPKMOTHWNLCR-ORVAITBMSA-N

1 reference

(Q104955304)

3-[(3S,5S,8R,9R,10R,13R,14S,17R)-5,14-dihydroxy-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,6,7,8,9,10,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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Identifiers

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